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Found 6684 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196506
PNG
(US9212165, 3)
Show SMILES Fc1cccc(c1)C#CC12CCC(C1)(CCC2)NC(=O)c1cnccn1
Show InChI InChI=1S/C21H20FN3O/c22-17-4-1-3-16(13-17)5-8-20-6-2-7-21(15-20,10-9-20)25-19(26)18-14-23-11-12-24-18/h1,3-4,11-14H,2,6-7,9-10,15H2,(H,25,26)
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3 -48.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196508
PNG
(US9212165, 16)
Show SMILES O=C(N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1)c1ccccn1
Show InChI InChI=1S/C21H21N3O/c25-19(18-7-2-4-15-23-18)24-21-10-5-9-20(16-21,12-13-21)11-8-17-6-1-3-14-22-17/h1-4,6-7,14-15H,5,9-10,12-13,16H2,(H,24,25)/t20-,21+/m0/s1
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4.5 -47.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196528
PNG
(US9212165, 71)
Show SMILES O=C(NC12CC3CC(C1)CC(C3)(C2)C#Cc1ccccn1)c1cnccn1
Show InChI InChI=1S/C22H22N4O/c27-20(19-14-23-7-8-25-19)26-22-12-16-9-17(13-22)11-21(10-16,15-22)5-4-18-3-1-2-6-24-18/h1-3,6-8,14,16-17H,9-13,15H2,(H,26,27)
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4.70 -47.5n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196520
PNG
(US9212165, 45)
Show SMILES Cc1csc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1cnccn1
Show InChI InChI=1S/C19H20N4OS/c1-14-12-25-17(22-14)16(24)23-19-5-2-4-18(13-19,7-8-19)6-3-15-11-20-9-10-21-15/h9-12H,2,4-5,7-8,13H2,1H3,(H,23,24)/t18-,19+/m0/s1
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6.20 -46.8n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196510
PNG
(US9212165, 18)
Show SMILES Cc1nccc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1
Show InChI InChI=1S/C21H22N4O/c1-16-22-14-7-18(24-16)19(26)25-21-9-4-8-20(15-21,11-12-21)10-6-17-5-2-3-13-23-17/h2-3,5,7,13-14H,4,8-9,11-12,15H2,1H3,(H,25,26)/t20-,21+/m0/s1
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10 -45.7n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196511
PNG
(US9212165, 20)
Show SMILES Fc1ccc(nc1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1
Show InChI InChI=1S/C21H20FN3O/c22-16-5-6-18(24-14-16)19(26)25-21-9-3-8-20(15-21,11-12-21)10-7-17-4-1-2-13-23-17/h1-2,4-6,13-14H,3,8-9,11-12,15H2,(H,25,26)/t20-,21+/m0/s1
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11 -45.4n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM224627
PNG
(US9328070, 2)
Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1cccc(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C19H19ClN2O/c1-19(2,3)22(4)18(23)17-11-10-15(13-21-17)9-8-14-6-5-7-16(20)12-14/h5-7,10-13H,1-4H3
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US Patent
15n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9328070 (2016)


BindingDB Entry DOI: 10.7270/Q27943JT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196514
PNG
(US9212165, 28)
Show SMILES Cc1nccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1
Show InChI InChI=1S/C21H22N4O/c1-16-22-14-7-18(24-16)19(26)25-21-9-4-8-20(15-21,11-12-21)10-6-17-5-2-3-13-23-17/h2-3,5,7,13-14H,4,8-9,11-12,15H2,1H3,(H,25,26)/t20-,21+/m1/s1
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17 -44.3n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM199988
PNG
(US9227959, 2)
Show SMILES Clc1cccc(c1)C#Cc1ccc(nc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H15ClN2O2/c19-16-3-1-2-14(12-16)4-5-15-6-7-17(20-13-15)18(22)21-8-10-23-11-9-21/h1-3,6-7,12-13H,8-11H2
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19n/an/an/an/an/an/a7.4n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196513
PNG
(US9212165, 26)
Show SMILES O=C(N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1)c1ccccn1
Show InChI InChI=1S/C21H21N3O/c25-19(18-7-2-4-15-23-18)24-21-10-5-9-20(16-21,12-13-21)11-8-17-6-1-3-14-22-17/h1-4,6-7,14-15H,5,9-10,12-13,16H2,(H,24,25)/t20-,21+/m1/s1
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22 -43.7n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM199989
PNG
(US9227959, 3)
Show SMILES CC1(C)COCCN1C(=O)c1ccc(cn1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C20H19ClN2O2/c1-20(2)14-25-11-10-23(20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3
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23n/an/an/an/an/an/a7.4n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM234211
PNG
(US9359301, 2)
Show SMILES CCN(C(=O)c1ccc(cn1)C#Cc1cccc(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C20H21ClN2O/c1-5-23(20(2,3)4)19(24)18-12-11-16(14-22-18)10-9-15-7-6-8-17(21)13-15/h6-8,11-14H,5H2,1-4H3
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24n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9359301 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99ND
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141501
PNG
(US8921370, 2 | US9656975, 2)
Show SMILES Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H24ClN3O2/c1-15-5-2-8-18(24-15)20(28)26-22-10-4-9-21(14-22,11-12-22)25-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,25,27)(H,26,28)
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27 -43.2n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM224626
PNG
(US9328070, 1)
Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1ccnc(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C18H18ClN3O/c1-18(2,3)22(4)17(23)15-8-7-14(12-21-15)6-5-13-9-10-20-16(19)11-13/h7-12H,1-4H3
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28n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9328070 (2016)


BindingDB Entry DOI: 10.7270/Q27943JT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM224623
PNG
(US9328070, Reference compound 1 | US9359301, Refer...)
Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
Show InChI InChI=1S/C19H19FN2O/c1-19(2,3)22(4)18(23)17-11-10-15(13-21-17)9-8-14-6-5-7-16(20)12-14/h5-7,10-13H,1-4H3
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29n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9359301 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99ND
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM224623
PNG
(US9328070, Reference compound 1 | US9359301, Refer...)
Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
Show InChI InChI=1S/C19H19FN2O/c1-19(2,3)22(4)18(23)17-11-10-15(13-21-17)9-8-14-6-5-7-16(20)12-14/h5-7,10-13H,1-4H3
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29n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9328070 (2016)


BindingDB Entry DOI: 10.7270/Q27943JT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196519
PNG
(US9212165, 44)
Show SMILES Cn1ccc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1cnccn1
Show InChI InChI=1S/C19H21N5O/c1-24-12-4-16(23-24)17(25)22-19-6-2-5-18(14-19,8-9-19)7-3-15-13-20-10-11-21-15/h4,10-13H,2,5-6,8-9,14H2,1H3,(H,22,25)/t18-,19+/m0/s1
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34 -42.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141506
PNG
(US8921370, 160 | US9656975, 160)
Show SMILES Cc1cncc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)/t20-,21+/m0/s1
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35 -42.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196515
PNG
(US9212165, 30)
Show SMILES Fc1ccc(nc1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1
Show InChI InChI=1S/C21H20FN3O/c22-16-5-6-18(24-14-16)19(26)25-21-9-3-8-20(15-21,11-12-21)10-7-17-4-1-2-13-23-17/h1-2,4-6,13-14H,3,8-9,11-12,15H2,(H,25,26)/t20-,21+/m1/s1
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35 -42.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196523
PNG
(US9212165, 50)
Show SMILES Cc1csc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1cnccn1
Show InChI InChI=1S/C19H20N4OS/c1-14-12-25-17(22-14)16(24)23-19-5-2-4-18(13-19,7-8-19)6-3-15-11-20-9-10-21-15/h9-12H,2,4-5,7-8,13H2,1H3,(H,23,24)/t18-,19+/m1/s1
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38 -42.4n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141505
PNG
(US8921370, 126 | US9656975, 126)
Show SMILES Cc1cccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1ccccn1
Show InChI InChI=1S/C21H24N4O2/c1-15-6-4-8-17(23-15)19(27)25-21-10-5-9-20(14-21,11-12-21)24-18(26)16-7-2-3-13-22-16/h2-4,6-8,13H,5,9-12,14H2,1H3,(H,24,26)(H,25,27)/t20-,21+/m1/s1
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39 -42.3n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM234210
PNG
(US9359301, 1)
Show SMILES CCN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
Show InChI InChI=1S/C20H21FN2O/c1-5-23(20(2,3)4)19(24)18-12-11-16(14-22-18)10-9-15-7-6-8-17(21)13-15/h6-8,11-14H,5H2,1-4H3
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42n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9359301 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99ND
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM224624
PNG
(US9328070, Reference compound 2)
Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1cncc(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C18H18ClN3O/c1-18(2,3)22(4)17(23)16-8-7-13(11-21-16)5-6-14-9-15(19)12-20-10-14/h7-12H,1-4H3
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42n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9328070 (2016)


BindingDB Entry DOI: 10.7270/Q27943JT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM234213
PNG
(US9359301, 4)
Show SMILES CCN(C(=O)c1ncc(cn1)C#Cc1cccc(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C19H20ClN3O/c1-5-23(19(2,3)4)18(24)17-21-12-15(13-22-17)10-9-14-7-6-8-16(20)11-14/h6-8,11-13H,5H2,1-4H3
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46n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9359301 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99ND
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM234209
PNG
(US9359301, Reference compound 2)
Show SMILES CN(C(=O)c1ncc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
Show InChI InChI=1S/C18H18FN3O/c1-18(2,3)22(4)17(23)16-20-11-14(12-21-16)9-8-13-6-5-7-15(19)10-13/h5-7,10-12H,1-4H3
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51n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9359301 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99ND
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM224625
PNG
(US9328070, Reference compound 3)
Show SMILES CC(C)(NC(=O)c1ccc(cn1)C#Cc1ccnc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C17H13ClF3N3O/c1-16(2,17(19,20)21)24-15(25)13-6-5-12(10-23-13)4-3-11-7-8-22-14(18)9-11/h5-10H,1-2H3,(H,24,25)
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58n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9328070 (2016)


BindingDB Entry DOI: 10.7270/Q27943JT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141508
PNG
(US8921370, 171 | US9656975, 171)
Show SMILES Cc1csc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C20H24N4O2S/c1-13-5-3-6-15(21-13)23-18(26)19-7-4-8-20(12-19,10-9-19)24-16(25)17-22-14(2)11-27-17/h3,5-6,11H,4,7-10,12H2,1-2H3,(H,24,25)(H,21,23,26)
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65 -41.0n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM199990
PNG
(US9227959, 4)
Show SMILES CC1(C)COCCN1C(=O)c1ncc(cn1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H18ClN3O2/c1-19(2)13-25-9-8-23(19)18(24)17-21-11-15(12-22-17)7-6-14-4-3-5-16(20)10-14/h3-5,10-12H,8-9,13H2,1-2H3
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67n/an/an/an/an/an/a7.4n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM199987
PNG
(US9227959, 1)
Show SMILES CC1(C)COCCN1C(=O)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O2/c1-20(2)14-25-11-10-23(20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3
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72n/an/an/an/an/an/a7.4n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141502
PNG
(US8921370, 6 | US9656975, 6)
Show SMILES Cc1cncc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)
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78 -40.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196507
PNG
(US9212165, 13)
Show SMILES Clc1cccc(c1)C(=O)NC12CCC(C1)(CCC2)C#Cc1cnccn1
Show InChI InChI=1S/C21H20ClN3O/c22-17-4-1-3-16(13-17)19(26)25-21-7-2-6-20(15-21,9-10-21)8-5-18-14-23-11-12-24-18/h1,3-4,11-14H,2,6-7,9-10,15H2,(H,25,26)
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91 -40.2n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM234212
PNG
(US9359301, 3)
Show SMILES CCN(C(=O)c1ncc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
Show InChI InChI=1S/C19H20FN3O/c1-5-23(19(2,3)4)18(24)17-21-12-15(13-22-17)10-9-14-7-6-8-16(20)11-14/h6-8,11-13H,5H2,1-4H3
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94n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9359301 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99ND
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196530
PNG
(US9212165, 81)
Show SMILES Cc1csc(n1)C#CC12CC3CC(CC(C3)(C1)NC(=O)c1ccn(C)n1)C2
Show InChI InChI=1S/C21H24N4OS/c1-14-12-27-18(22-14)3-5-20-8-15-7-16(9-20)11-21(10-15,13-20)23-19(26)17-4-6-25(2)24-17/h4,6,12,15-16H,7-11,13H2,1-2H3,(H,23,26)
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120 -39.5n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM199985
PNG
(US9227959, Reference Compound 1, Ex. 35)
Show SMILES CC1(C)CN(CCO1)C(=O)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O2/c1-20(2)14-23(10-11-25-20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3
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201n/an/an/an/an/an/a7.4n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141504
PNG
(US8921370, 36 | US9656975, 36)
Show SMILES Cc1cccc(c1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1ccncc1
Show InChI InChI=1S/C22H25N3O2/c1-16-4-2-5-18(14-16)20(27)25-22-9-3-8-21(15-22,10-11-22)24-19(26)17-6-12-23-13-7-17/h2,4-7,12-14H,3,8-11,15H2,1H3,(H,24,26)(H,25,27)
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280 -37.4n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM199986
PNG
(US9227959, Reference Compound 2, Ex. 46)
Show SMILES CC1(C)CCCN(C1)C(=O)c1ncc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C20H21N3O/c1-20(2)11-6-12-23(15-20)19(24)18-21-13-17(14-22-18)10-9-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,11-12,15H2,1-2H3
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315n/an/an/an/an/an/a7.4n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141503
PNG
(US8921370, 15 | US9656975, 15)
Show SMILES Cc1ncc(s1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H22ClN3O2S/c1-13-22-11-16(27-13)18(26)24-20-7-3-6-19(12-20,8-9-20)23-17(25)14-4-2-5-15(21)10-14/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,23,25)(H,24,26)
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340 -36.9n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141510
PNG
(US8921370, 178 | US9656975, 178)
Show SMILES Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1ccnc(C)n1
Show InChI InChI=1S/C21H25N5O2/c1-14-5-3-6-16(23-14)18(27)26-21-9-4-8-20(13-21,10-11-21)19(28)25-17-7-12-22-15(2)24-17/h3,5-7,12H,4,8-11,13H2,1-2H3,(H,26,27)(H,22,24,25,28)
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370 -36.7n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141509
PNG
(US8921370, 176 | US9656975, 176)
Show SMILES Cc1cccc(NC(=O)C23CCC(C2)(CCC3)NC(=O)c2cccc(Cl)c2)n1
Show InChI InChI=1S/C22H24ClN3O2/c1-15-5-2-8-18(24-15)25-20(28)21-9-4-10-22(14-21,12-11-21)26-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,26,27)(H,24,25,28)
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500 -36.0n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196522
PNG
(US9212165, 49)
Show SMILES Cn1ccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1cnccn1
Show InChI InChI=1S/C19H21N5O/c1-24-12-4-16(23-24)17(25)22-19-6-2-5-18(14-19,8-9-19)7-3-15-13-20-10-11-21-15/h4,10-13H,2,5-6,8-9,14H2,1H3,(H,22,25)/t18-,19+/m1/s1
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590 -35.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141507
PNG
(US8921370, 161 | US9656975, 161)
Show SMILES Cc1cncc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)/t20-,21+/m1/s1
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1.20E+3 -33.8n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM196525
PNG
(US9212165, 56)
Show SMILES Cc1cncc(n1)C#CC12CC3CC(CC(C3)(C1)NC(=O)c1cccc(F)c1)C2
Show InChI InChI=1S/C24H24FN3O/c1-16-13-26-14-21(27-16)5-6-23-9-17-7-18(10-23)12-24(11-17,15-23)28-22(29)19-3-2-4-20(25)8-19/h2-4,8,13-14,17-18H,7,9-12,15H2,1H3,(H,28,29)
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1.30E+3 -33.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9212165 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B69
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM208023
PNG
(US9550778, chem-us-00180)
Show SMILES CCc1cccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
Show InChI InChI=1S/C20H18N6O/c1-3-15-5-4-6-18(24-15)25-20(27)16-9-14(11-26-19(16)22-12-23-26)17-10-21-8-7-13(17)2/h4-12H,3H2,1-2H3,(H,24,25,27)
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n/an/a 1.76E+3n/an/an/an/a7.425



Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...


US Patent US9550778 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM211091
PNG
(US9550778, chem-us-00181)
Show SMILES Cc1ccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)nc1
Show InChI InChI=1S/C19H16N6O/c1-12-3-4-17(21-8-12)24-19(26)15-7-14(10-25-18(15)22-11-23-25)16-9-20-6-5-13(16)2/h3-11H,1-2H3,(H,21,24,26)
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n/an/a 325n/an/an/an/a7.425



Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...


US Patent US9550778 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM211133
PNG
(US9550778, chem-us-00182)
Show SMILES Cc1ccncc1-c1cc(C(=O)Nc2ccc(F)cn2)c2ncnn2c1
Show InChI InChI=1S/C18H13FN6O/c1-11-4-5-20-8-15(11)12-6-14(17-22-10-23-25(17)9-12)18(26)24-16-3-2-13(19)7-21-16/h2-10H,1H3,(H,21,24,26)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...


US Patent US9550778 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM211448
PNG
(US9550778, chem-us-00183)
Show SMILES Cc1ccncc1-c1cc(C(=O)Nc2ccccn2)c2ncnn2c1
Show InChI InChI=1S/C18H14N6O/c1-12-5-7-19-9-15(12)13-8-14(17-21-11-22-24(17)10-13)18(25)23-16-4-2-3-6-20-16/h2-11H,1H3,(H,20,23,25)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...


US Patent US9550778 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM211449
PNG
(US9550778, chem-us-00184)
Show SMILES COc1ccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)nc1
Show InChI InChI=1S/C19H16N6O2/c1-12-5-6-20-9-16(12)13-7-15(18-22-11-23-25(18)10-13)19(26)24-17-4-3-14(27-2)8-21-17/h3-11H,1-2H3,(H,21,24,26)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...


US Patent US9550778 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM211450
PNG
(US9550778, chem-us-00185)
Show SMILES Cc1cccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
Show InChI InChI=1S/C19H16N6O/c1-12-6-7-20-9-16(12)14-8-15(18-21-11-22-25(18)10-14)19(26)24-17-5-3-4-13(2)23-17/h3-11H,1-2H3,(H,23,24,26)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...


US Patent US9550778 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM211451
PNG
(US9550778, chem-us-00186)
Show SMILES COc1cccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
Show InChI InChI=1S/C19H16N6O2/c1-12-6-7-20-9-15(12)13-8-14(18-21-11-22-25(18)10-13)19(26)24-16-4-3-5-17(23-16)27-2/h3-11H,1-2H3,(H,23,24,26)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...


US Patent US9550778 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM211452
PNG
(US9550778, chem-us-00187)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
Show InChI InChI=1S/C17H14N6OS/c1-10-3-4-18-6-14(10)12-5-13(15-19-9-20-23(15)7-12)16(24)22-17-21-11(2)8-25-17/h3-9H,1-2H3,(H,21,22,24)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...


US Patent US9550778 (2017)

More data for this
Ligand-Target Pair
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